SCHEMBL11229640

SCHEMBL11229640

OC1c2cc(-c3ccccc3)ccc2OCC1n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.38
CYP17A1 P05093 1/20 0.37
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2B P41595 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR1A P08908 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL11236680 0.84 CYP19A1 (0.44) CYP19A1HTR1ALTB4RLTB4R2
SCHEMBL11222690 0.82 DRD2 (0.36) CYP19A1ADRA2A
SCHEMBL10895156 0.82 HCRTR2 (0.38) CYP19A1ADRA2A
SCHEMBL11233337 0.82 HCRTR2 (0.38) CYP19A1ADRA2A
SCHEMBL11234799 0.82 HCRTR2 (0.38) CYP19A1ADRA2A
SCHEMBL11233338 0.82 HCRTR2 (0.38) CYP19A1ADRA2A
SCHEMBL11234808 0.82 HCRTR2 (0.38) CYP19A1ADRA2A
SCHEMBL11227708 0.79 CYP19A1 (0.33) CYP19A1KMT2ALTB4RLTB4R2
SCHEMBL11227623 0.79 CYP19A1 (0.45) CYP19A1HTR2BSIGMAR1HTR1ACYP11B1
SCHEMBL11232690 0.75 MAP3K14 (0.42) CYP19A1LTB4RLTB4R2

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
US-4342775-A FOR USE AS ANTICOAGULANT AND REDUCING SERUM SHOLESTEROL OR SERUM TRIGLYCERIDES FARMITALIA CARLO ERBA S.P.A. (IT) 1982-08-03 US claimed
US-4342775-A FOR USE AS ANTICOAGULANT AND REDUCING SERUM SHOLESTEROL OR SERUM TRIGLYCERIDES FARMITALIA CARLO ERBA S.P.A. (IT) 1982-08-03 US disclosed