SCHEMBL6284814

SCHEMBL6284814

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
CYP2D6 P10635 3/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 2/20 0.42
KCNN4 O15554 1/20 0.40
CHRM3 P20309 4/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EBP Q15125 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL13271382 0.77 CYP2D6 (0.44) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL3979738 0.77 CYP2D6 (0.58) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL24302110 0.76 CYP2D6 (0.43) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL1492823 0.76 CYP2D6 (0.43) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL25008312 0.75 ATM (0.41) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL4014770 0.74 DRD2 (0.65) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL14541984 0.74 EBP (0.51) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL6997314 0.74 CYP2D6 (0.42) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL8755602 0.74 CYP2D6 (0.42) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL8655165 0.74 CYP2D6 (0.42) ATMCYP2D6DRD2DRD4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US claimed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US claimed
US-9056227-B2 Golf ball comprising a core having a shallow hardness gradient ACUSHNET COMPANY (US) 2015-06-16 US disclosed
US-8968117-B2 Dual-core comprising zero gradient center and positive gradient outer core layer ACUSHNET COMPANY (US) 2015-03-03 US disclosed
CN-103877703-A Dual-Core Comprising Zero Gradient Center And Positive Gradient Outer Core Layer ACUSHNET CO 2014-06-25 CN disclosed
US-20130109506-A1 GOLF BALL COMPRISING A CORE HAVING A SHALLOW HARDNESS GRADIENT ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-20130109504-A1 DUAL-CORE COMPRISING ZERO GRADIENT CENTER AND POSITIVE GRADIENT OUTER CORE LAYER ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US disclosed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US disclosed