SCHEMBL3846301

SCHEMBL3846301

O=C(c1ccc(Oc2ccc(F)cc2)cc1)C1CCCN1C1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.41
▸ FPR2 P25090 3/20 0.41
▸ KDM2B Q8NHM5 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL3862104 1.00 SCN9A (0.41) SCN9AFPR2KDM2BPARP10HRH3
SCHEMBL3841290 0.90 ALDH1A1 (0.47) KDM2BALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL3846304 0.90 HTR2C (0.42) SCN9AKDM2BPARP10HRH3ALDH1A1
SCHEMBL3843546 0.89 HTR2C (0.41) SCN9AKDM2BPARP10HRH3ALDH1A1
SCHEMBL3844268 0.89 POLB (0.42) KDM2BALDH1A1LMNAMAPK1
SCHEMBL3839546 0.89 KDM4E (0.41) ALDH1A1MAPK1
SCHEMBL3881602 0.89 MEN1 (0.43) KDM2BALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL3860311 0.89 ALDH1A1 (0.47) KDM2BALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL3844103 0.87 BTK (0.39) SCN9AFPR2HRH3SMN1; SMN2
SCHEMBL5133016 0.84 FFAR1 (0.45) ALDH1A1LMNAMAPK1MAPK14

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 2 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
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