SCHEMBL7030622

SCHEMBL7030622

CC(C#N)(C#N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
CYP2D6 P10635 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
KCNN4 O15554 3/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.39
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9165026 0.85 CYP2C19 (0.42) MAPK1CYP2D6DRD2DRD4OPRM1
SCHEMBL9165032 0.85 CYP2C19 (0.42) MAPK1CYP2D6DRD2DRD4OPRM1
SCHEMBL230672 0.81 MAPK1 (0.44) MAPK1CYP2D6DRD2DRD4OPRM1
SCHEMBL5875525 0.81 MAPK1 (0.44) MAPK1CYP2D6DRD2DRD4OPRM1
SCHEMBL1021158 0.81 GRM1 (0.49) MAPK1CYP2D6DRD2DRD4OPRM1
SCHEMBL29201480 0.80 MAPT (0.46) MAPK1CYP2D6DRD2DRD4OPRM1
SCHEMBL20629458 0.79 CYP2D6 (0.42) MAPK1CYP2D6DRD2DRD4OPRM1
Fluoride SCHEMBL29201485 0.79 MAPT (0.45) MAPK1CYP2D6DRD2DRD4OPRM1
SCHEMBL8755572 0.77 CYP2D6 (0.41) MAPK1CYP2D6DRD2DRD4OPRM1
SCHEMBL4744155 0.77 TSHR (0.46) MAPK1CYP2D6DRD2DRD4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12392042-B2 Alternating current (AC) transition-metal catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2025-08-19 US disclosed
US-20230407492-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-12-21 US disclosed
EP-4214355-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS Yeda Research and Development Co. Ltd (IL) 2023-07-26 EP disclosed
WO-2022059010-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-03-24 WO disclosed
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US disclosed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 EP disclosed