SCHEMBL3843530

SCHEMBL3843530

Cc1cccc(Oc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.46
▸ EZH2 Q15910 1/20 0.42
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SSTR1 P30872 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ GRIA2 P42262 1/20 0.38
▸ BTK Q06187 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDM2B Q8NHM5 3/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MGLL Q99685 1/20 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
SCHEMBL5128971 0.90 MTNR1A (0.42) ALDH1A1MAPK1KDM2BMGLL
SCHEMBL3881602 0.90 MEN1 (0.43) FFAR1ALDH1A1MAPK1PLA2G1BATG4B
SCHEMBL3841290 0.89 ALDH1A1 (0.47) FFAR1ALDH1A1MAPK1PLA2G1BATG4B
SCHEMBL3846304 0.88 HTR2C (0.42) ALDH1A1MAPK1HTR2CHTR2BBTK
Hydrochloric Acid SCHEMBL3860311 0.88 ALDH1A1 (0.47) FFAR1ALDH1A1MAPK1PLA2G1BATG4B
SCHEMBL3843546 0.87 HTR2C (0.41) ALDH1A1MAPK1HTR2CHTR2BBTK
SCHEMBL3844268 0.86 POLB (0.42) FFAR1ALDH1A1MAPK1LMNAKDM2B
SCHEMBL3840556 0.84 OPRK1 (0.42) FFAR1ALDH1A1HTR2CHTR2BBTK
SCHEMBL3839546 0.83 KDM4E (0.41) FFAR1ALDH1A1MAPK1HTR2CHTR2B
SCHEMBL3846301 0.83 SCN9A (0.41) ALDH1A1MAPK1LMNAKDM2B

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 5 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
EP-2027086-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-02-25 — — EP disclosed
WO-2007136668-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 — — WO disclosed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 — — WO disclosed
Send feedback