SCHEMBL9838530

SCHEMBL9838530

Cc1ccc(C(C)(CN)C(N)(N)N)cc1C(C)(CN)C(N)(N)N

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.32
KIF11 P52732 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL439669 0.72 TAAR1 (0.47) HTR1DKIF11TAAR1
SCHEMBL8507806 0.65 TAAR1 (0.52) HTR1DKIF11TAAR1
SCHEMBL23759247 0.64 POLB (0.39) HTR1DKIF11
SCHEMBL30786333 0.63 TSHR (0.46) HTR1DKIF11
SCHEMBL1927914 0.63 TSHR (0.46) HTR1DKIF11
SCHEMBL5300761 0.62 ALDH1A1 (0.46) TAAR1
Ammonia Solution, Strong SCHEMBL486696 0.62 TSHR (0.44) HTR1DKIF11
SCHEMBL5299447 0.61 ALDH1A1 (0.46) HTR1DKIF11
SCHEMBL10698995 0.60 ESR1 (0.32)
SCHEMBL24017229 0.60 ESR1 (0.38) HTR1D

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-4988544-A POLYIMIDE COMPOSITE FORMED BY IMPREGNATION OF FIBERS WITH ALCOHOL SOLUTION OF MONOMER MIXTURE AND CONDENSATION POLYMERIZATION GENERAL ELECTRIC COMPANY (US) 1991-01-29 US disclosed
EP-0374518-A1 Bisphenol-A dianhydride-based polyimide matrix resins and method of preparation GENERAL ELECTRIC COMPANY (US) 1990-06-27 EP disclosed