SCHEMBL27658447

SCHEMBL27658447

CCNCc1cc(Cl)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.58
AVPR1A P37288 2/20 0.58
HIF1A Q16665 4/20 0.57
CYP3A4 P08684 3/20 0.57
MEN1 O00255 3/20 0.57
HPGD P15428 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 3/20 0.57
ALOX15 P16050 2/20 0.57
HTT P42858 2/20 0.57
SLC22A1 O15245 1/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
HSP90AA1 P07900 1/20 0.57
HSPD1 P10809 1/20 0.57
HSPA5 P11021 1/20 0.57
IDO1 P14902 1/20 0.57
ALOX12 P18054 1/20 0.57
CASP1 P29466 1/20 0.57
BLM P54132 1/20 0.57

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
Diethylamine SCHEMBL16098374 0.85 HIF1A (0.57) OXTRAVPR1AHIF1ACYP3A4MEN1
SCHEMBL23915663 0.85 OXTR (0.61) OXTRAVPR1AHIF1ACYP3A4MEN1
SCHEMBL11675123 0.81 EGFR (0.56) HIF1AHPGDMAPTLMNACYP2D6
SCHEMBL12305651 0.81 MEN1 (0.67) OXTRAVPR1AHIF1ACYP3A4MEN1
SCHEMBL18685158 0.81 BCHE (0.48) OXTRAVPR1ACYP3A4HTTCYP2C19
SCHEMBL172356 0.81 OXTR (0.54) OXTRAVPR1AHIF1ACYP3A4MEN1
SCHEMBL16791829 0.80 OXTR (0.56) OXTRAVPR1AHIF1ACYP3A4MEN1
SCHEMBL25454248 0.80 CYP1A2 (0.44) OXTRAVPR1AHIF1ACYP3A4MEN1
Acetic Acid SCHEMBL11588262 0.80 CA2 (0.56) OXTRAVPR1AHIF1ACYP3A4MEN1
SCHEMBL15383498 0.79 AMY1A (0.52) HIF1AMEN1HPGDKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100548976-C The sulfone amide derivative that is used for the treatment of disease PFIZER LTD (US) 2009-10-14 CN disclosed
CN-1934071-A Carboxamide derivatives useful as adrenergic receptors PFIZER LTD (US) 2007-03-21 CN disclosed
CN-1910143-A Sulfonamide derivatives for the treatment of diseases PFIZER LTD (US) 2007-02-07 CN disclosed