SCHEMBL7329500

SCHEMBL7329500

CCCC(CCOc1ccc(F)cc1)CN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
LTA4H P09960 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 2/20 0.48
SLC6A4 P31645 1/20 0.47
ALDH1A1 P00352 2/20 0.44
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CACNA1H O95180 1/20 0.42
CACNA1B Q00975 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 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
SCHEMBL27431539 0.86 HRH3 (0.64) HRH3LTA4HKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL27364342 0.85 HRH3 (0.62) HRH3LTA4HKMT2AMEN1LMNA
SCHEMBL7330709 0.83 LTA4H (0.61) HRH3LTA4HLMNATSHRPSMB1
SCHEMBL7327720 0.81 KDM4E (0.53) HRH3KMT2AMEN1TSHRSLC6A4
SCHEMBL7325617 0.75 MAOB (0.53) HRH3LMNAHTTALDH1A1USP2
SCHEMBL22564675 0.74 KMT2A (0.46) HRH3KMT2AMEN1SLC6A4ALDH1A1
SCHEMBL20663279 0.74 KMT2A (0.46) HRH3KMT2AMEN1SLC6A4ALDH1A1
SCHEMBL9528301 0.74 HRH3 (0.68) HRH3LTA4HKMT2AMEN1LMNA
SCHEMBL13698801 0.74 LTA4H (0.87) HRH3LTA4HKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL9528330 0.73 HRH3 (0.67) HRH3LTA4HKMT2AMEN1LMNA

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-0629190-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-21 EP claimed
WO-1993015052-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO claimed