SCHEMBL3881602

SCHEMBL3881602

Cc1ccc(Oc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ FFAR1 O14842 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ KDM2B Q8NHM5 4/20 0.36

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
SCHEMBL3844268 0.91 POLB (0.42) MEN1KMT2AFFAR1ALDH1A1MAPK1
SCHEMBL3841290 0.90 ALDH1A1 (0.47) CYP2D6FFAR1ALDH1A1MAPK1MMP13
SCHEMBL3843530 0.90 FFAR1 (0.46) CYP2D6FFAR1ALDH1A1MAPK1LMNA
SCHEMBL3862104 0.89 SCN9A (0.41) ALDH1A1MAPK1LMNAKDM2B
SCHEMBL3846301 0.89 SCN9A (0.41) ALDH1A1MAPK1LMNAKDM2B
SCHEMBL3839546 0.89 KDM4E (0.41) MEN1KMT2AFFAR1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL3860311 0.89 ALDH1A1 (0.47) CYP2D6FFAR1ALDH1A1MAPK1MMP13
SCHEMBL3840556 0.87 OPRK1 (0.42) MEN1KMT2ACYP2D6FFAR1ALDH1A1
SCHEMBL5133016 0.86 FFAR1 (0.45) CYP2D6FFAR1ALDH1A1MAPK1LMNA
SCHEMBL5128971 0.86 MTNR1A (0.42) ALDH1A1MAPK1KDM2B

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-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 — — WO claimed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 — — WO claimed
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