SCHEMBL11218640

SCHEMBL11218640

COc1cccc2c1C(C)(CCCCl)OCC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR5A P47898 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2C P18825 1/20 0.33
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
BACE1 P56817 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL11540942 0.83 HTR5A (0.37) HTR1AADRA1DHTR5ASMN1; SMN2DRD2
SCHEMBL11230856 0.80 ALOX5 (0.36) KMT2A
SCHEMBL11233879 0.80 AKT1 (0.30)
SCHEMBL11219802 0.77 MAPT (0.33) HTR1AADRA1DKMT2ATAAR1
SCHEMBL11247838 0.76 SIGMAR1 (0.41) KMT2ATAAR1
SCHEMBL11218655 0.76
SCHEMBL11230840 0.74 ALOX5 (0.30)
SCHEMBL11225277 0.74 SMN1; SMN2 (0.37) HTR5ASMN1; SMN2DRD2DRD3CYP2D6
SCHEMBL11220851 0.74 MAPT (0.32) HTR1AADRA1DDRD2KMT2A
SCHEMBL11230864 0.73 HTR2C (0.37) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352805-A BENZOXEPINE DERIVATIVES THE UPJOHN COMPANY (US) 1982-10-05 US disclosed
US-4312868-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1982-01-26 US disclosed
US-4251526-A HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC PHARMACIA & UPJOHN COMPANY 1981-02-17 US disclosed
US-4250181-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-02-10 US disclosed
US-4250175-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS PHARMACIA & UPJOHN COMPANY 1981-02-10 US disclosed
US-4247553-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-01-27 US disclosed
US-4179510-A ISOCHROMANS AND 2-BENZOXEPINS THE UPJOHN COMPANY (US) 1979-12-18 US disclosed
US-4166062-A HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-08-28 US disclosed