SCHEMBL3844268

SCHEMBL3844268

COc1ccc(Oc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ KDM2B Q8NHM5 3/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ MMP1 P03956 3/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CHRM2 P08172 4/20 0.40
▸ CHRM1 P11229 4/20 0.40
▸ CHRM3 P20309 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ FFAR1 O14842 1/20 0.40

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
SCHEMBL5128971 0.92 MTNR1A (0.42) KDM2BMAPK1ALDH1A1
SCHEMBL3881602 0.91 MEN1 (0.43) KDM2BKMT2AKDM4EMEN1MAPT
SCHEMBL3841290 0.90 ALDH1A1 (0.47) KDM2BMMP13NPC1RAB9AMAPK1
SCHEMBL3862104 0.89 SCN9A (0.41) KDM2BMAPK1LMNAALDH1A1
SCHEMBL3839546 0.89 KDM4E (0.41) KMT2AKDM4EMEN1MAPTTDP1
SCHEMBL3846301 0.89 SCN9A (0.41) KDM2BMAPK1LMNAALDH1A1
Hydrochloric Acid SCHEMBL3860311 0.89 ALDH1A1 (0.47) KDM2BMMP13NPC1RAB9AMAPK1
SCHEMBL3843530 0.86 FFAR1 (0.46) KDM2BMAPK1LMNAFFAR1ALDH1A1
SCHEMBL5133016 0.84 FFAR1 (0.45) MAPK1LMNAFFAR1ALDH1A1
SCHEMBL3846304 0.83 HTR2C (0.42) KDM2BMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027086-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-02-25 — — EP claimed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 — — WO claimed
WO-2007136668-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 — — WO disclosed
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