SCHEMBL7004720

SCHEMBL7004720

C=C1Nc2ccccc2C12CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.46
▸ BACE1 P56817 1/20 0.41
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ PGR P06401 6/20 0.39
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ NR4A1 P22736 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APP P05067 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23591435 0.90 BACE1 (0.44) PDE7ABACE1OPRM1OPRK1OPRL1
SCHEMBL13827560 0.84 PDE7A (0.52) PDE7ABACE1OPRM1OPRK1OPRL1
SCHEMBL30483844 0.81 PDE7A (0.48) PDE7ABACE1OPRM1OPRK1OPRL1
SCHEMBL1223213 0.77 BACE1 (0.62) PDE7ABACE1OPRM1OPRK1OPRL1
SCHEMBL29799132 0.77 BACE1 (0.62) PDE7ABACE1OPRM1OPRK1OPRL1
SCHEMBL21537944 0.77 BACE1 (0.62) PDE7ABACE1OPRM1OPRK1OPRL1
SCHEMBL20437948 0.75 CYP2D6 (0.53) BACE1OPRM1OPRK1OPRL1MEN1
SCHEMBL1268479 0.74 BACE1 (0.64) PDE7ABACE1OPRM1OPRK1OPRL1
SCHEMBL29387092 0.74 BACE1 (0.64) PDE7ABACE1OPRM1OPRK1OPRL1
SCHEMBL6838754 0.71 ALDH1A1 (0.42) PDE7AALDH1A1HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9760060-B2 Photopolymer formulations for producing holographic media having highly crosslinked matrix polymers COVESTRO DEUTSCHLAND AG (DE) 2017-09-12 — — US disclosed
US-9760060-B2 Photopolymer formulations for producing holographic media having highly crosslinked matrix polymers COVESTRO DEUTSCHLAND AG (DE) 2017-09-12 — — US disclosed
US-9146456-B2 Photopolymer formulation for producing holographic media having highly crosslinked matrix polymers BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-29 — — US disclosed
US-9146456-B2 Photopolymer formulation for producing holographic media having highly crosslinked matrix polymers BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-29 — — US disclosed
US-20130224634-A1 PHOTOPOLYMER FORMULATION FOR PRODUCING HOLOGRAPHIC MEDIA HAVING HIGHLY CROSSLINKED MATRIX POLYMERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 — — US disclosed
US-20130224634-A1 PHOTOPOLYMER FORMULATION FOR PRODUCING HOLOGRAPHIC MEDIA HAVING HIGHLY CROSSLINKED MATRIX POLYMERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 — — US disclosed
WO-2012062655-A2 PHOTOPOLYMER FORMULATION FOR PRODUCING HOLOGRAPHIC MEDIA HAVING HIGHLY CROSS-LINKED MATRIX POLYMERS BAYER MATERIALSCIENCE AG (DE) 2012-05-18 — — WO disclosed
EP-2450893-A1 Photopolymer formula for producing of holographic media with highly networked matrix polymers Bayer MaterialScience AG (DE) 2012-05-09 — — EP disclosed
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