SCHEMBL7941754

SCHEMBL7941754

OC1C[C@H]2CC[C@H]1N(Cc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
SIGMAR1 Q99720 4/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
FUCA1 P04066 2/20 0.46
GBA1 P04062 1/20 0.46

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
SCHEMBL1974795 1.00 MAPT (0.55) MAPTSIGMAR1CYP3A4TSHRCYP2C19
SCHEMBL3898603 1.00 MAPT (0.55) MAPTSIGMAR1CYP3A4TSHRCYP2C19
SCHEMBL30420145 1.00 MAPT (0.55) MAPTSIGMAR1CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL11674164 0.98 MAPT (0.54) MAPTSIGMAR1CYP3A4TSHRCYP2C19
SCHEMBL2079349 0.88 MAPT (0.55) MAPTSIGMAR1FUCA1
SCHEMBL566923 0.87 MAPT (0.58) MAPTSIGMAR1CYP3A4TSHRCYP2C19
SCHEMBL5591234 0.87 MAPT (0.58) MAPTSIGMAR1CYP3A4TSHRCYP2C19
SCHEMBL16044726 0.87 MAPT (0.58) MAPTSIGMAR1CYP3A4TSHRCYP2C19
SCHEMBL566922 0.87 MAPT (0.58) MAPTSIGMAR1CYP3A4TSHRCYP2C19
SCHEMBL16043911 0.87 MAPT (0.58) MAPTSIGMAR1CYP3A4TSHRCYP2C19

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-6248752-B1 Azabicyclooctane compositions and methods for enhancing chemotherapy SMITH CHARLES DUANE (US) 2001-06-19 US claimed
US-6248752-B1 Azabicyclooctane compositions and methods for enhancing chemotherapy SMITH CHARLES DUANE (US) 2001-06-19 US disclosed