SCHEMBL11624816

SCHEMBL11624816

CCCCC(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(CCO)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.55
▸ MC4R P32245 3/20 0.44
▸ OPRK1 P41145 2/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HTR5A P47898 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL11625094 0.96 HRH3 (0.51) HRH3MC4ROPRK1ABCB11CHRM2
SCHEMBL11627527 0.93 HRH3 (0.45) HRH3MC4ROPRK1ABCB11CHRM2
SCHEMBL11627583 0.86 HRH3 (0.53) HRH3MC4ROPRK1ABCB11CHRM2
SCHEMBL11623365 0.82 HRH3 (0.49) HRH3MC4ROPRK1ABCB11CHRM2
SCHEMBL11626541 0.81 HRH3 (0.53) HRH3OPRK1HTR2AALDH1A1HPGD
SCHEMBL10503605 0.80 KDM4E (0.48) HRH3MC4ROPRK1ABCB11CHRM2
SCHEMBL11625461 0.80 HRH3 (0.58) HRH3OPRK1CYP2D6ALDH1A1OPRM1
SCHEMBL11625976 0.78 KDM4E (0.44) HRH3MC4ROPRK1ABCB11CHRM2
SCHEMBL11623894 0.77 LMNA (0.51) HRH3OPRK1ABCB11CHRM2ADRA2A
SCHEMBL11623897 0.77 LMNA (0.51) HRH3OPRK1ABCB11CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4125612-A N-1-(p-Biphenylalkyl)piperazines and their use as anti-inflammatory agents SCHERING CORPORATION (US) 1978-11-14 — — US disclosed
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