SCHEMBL4037992

SCHEMBL4037992

CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)OC(c2ccc(F)cc2)(c2ccc(N3CCNCC3)cc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.34
HTR1A P08908 2/20 0.34
PDK2 Q15119 1/20 0.33
MAOB P27338 1/20 0.32
PGR P06401 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL4040445 0.92 PGR (0.33) PDK2PGRKDM4EALDH1A1MAPT
SCHEMBL3145461 0.91 PDK2 (0.34) PDK2PGRKDM4EALDH1A1MAPT
SCHEMBL3147166 0.91 NPC1 (0.33) PDK2PGRKDM4EALDH1A1MAPT
SCHEMBL24620697 0.88 APP (0.33) PDK2MAPT
SCHEMBL16467283 0.87 ACVR1 (0.33) HTR7HTR1AMAOBACVR1
SCHEMBL3151355 0.87 PGR (0.32) PGR
SCHEMBL25716067 0.87 PDK2 (0.34) PDK2KDM4EALDH1A1MAPT
SCHEMBL19547563 0.87 MAPT (0.30) MAPT
SCHEMBL25604440 0.87 APP (0.33) PDK2MAPT
SCHEMBL10102302 0.85 NPC1 (0.32) KDM4EALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966180-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2015-02-18 EP claimed
US-7527754-B2 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-05-05 US claimed
EP-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 EP disclosed
US-7527754-B2 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-05-05 US disclosed