SCHEMBL31737367

SCHEMBL31737367

Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 1.00
OXTR P30559 10/20 1.00
AVPR2 P30518 4/20 1.00
CHRM2 P08172 1/20 0.63
CHRM4 P08173 1/20 0.63
CHRM5 P08912 1/20 0.63
CHRM3 P20309 1/20 0.63
DRD3 P35462 1/20 0.63
OPRK1 P41145 1/20 0.63

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
SCHEMBL2598091 1.00 AVPR1A (1.00) AVPR1AOXTRAVPR2CHRM2CHRM4
Hydrochloric Acid SCHEMBL29580282 0.99 AVPR1A (0.99) AVPR1AOXTRAVPR2CHRM2CHRM4
Hydrochloric Acid SCHEMBL5428661 0.99 AVPR1A (0.99) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4837407 0.95 AVPR1A (0.90) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL38380 0.94 AVPR1A (0.88) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL6024670 0.93 AVPR1A (0.86) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4695457 0.93 AVPR1A (0.86) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4835403 0.92 AVPR1A (0.85) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4697703 0.92 AVPR1A (0.85) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL4835384 0.91 AVPR1A (0.83) AVPR1AOXTRAVPR2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025245322-A1 OXYTOCIN-BASED THERAPEUTICS TO IMPROVE COGNITIVE CONTROL IN INDIVIDUALS WITH ATTENTION-DEFICIT/HYPERACTIVITY DISORDER THE GENERAL HOSPITAL CORPORATION (US) 2025-11-27 WO disclosed