SCHEMBL7877589

SCHEMBL7877589

CN1CCN(c2ccccc2CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.59
DRD4 P21917 8/20 0.59
DRD1 P21728 1/20 0.59
DRD2 P14416 10/20 0.59
HTR1A P08908 4/20 0.59
HTR2C P28335 2/20 0.59
CNR1 P21554 2/20 0.57
PYGL P06737 1/20 0.53
PYGM P11217 1/20 0.53
HRH4 Q9H3N8 1/20 0.53
HTR2A P28223 3/20 0.51
PLD2 O14939 1/20 0.50
PLD1 Q13393 1/20 0.50

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
SCHEMBL5160955 0.80 HTR1A (0.60) DRD3DRD4DRD2HTR1A
SCHEMBL25040904 0.79 SETD2 (0.58) DRD2HRH4
SCHEMBL2735833 0.76 CNR1 (0.71) CNR1PYGL
SCHEMBL6662366 0.75 NPC1 (0.52) DRD3DRD4DRD2HTR1AHTR2C
SCHEMBL5160839 0.75 DRD2 (0.53) DRD3DRD4DRD2HTR1AHTR2C
SCHEMBL3082618 0.74 DRD3 (1.00) DRD3DRD4DRD1DRD2HTR1A
SCHEMBL2735824 0.74 NPC1 (0.67) CNR1
SCHEMBL13753862 0.73 HDAC3 (0.67) DRD3DRD2CNR1HRH4
SCHEMBL7949981 0.73 SNCA (0.59) DRD3DRD2HTR1AHTR2CHTR2A
SCHEMBL7950991 0.73 NPC1 (0.61) DRD3DRD4DRD2HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323229-B1 COMPOUNDS ARE USEFUL PSYCHOTHERAPEUTICS AND ARE POTENT AGONISTS AND/OR ANTAGONISTS OF THE SEROTONIN 1A (5-HT 1A) AND/OR SEROTONIN 1D (5-HT 1D) FOR TREATMENT OF HYPERTENSION, DEPRESSION, GENERALIZED ANXIETY DISORDER PFIZER INC 2001-11-27 US claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-6323229-B1 COMPOUNDS ARE USEFUL PSYCHOTHERAPEUTICS AND ARE POTENT AGONISTS AND/OR ANTAGONISTS OF THE SEROTONIN 1A (5-HT 1A) AND/OR SEROTONIN 1D (5-HT 1D) FOR TREATMENT OF HYPERTENSION, DEPRESSION, GENERALIZED ANXIETY DISORDER PFIZER INC 2001-11-27 US disclosed
US-6197773-B1 HEADACHES; ANTIDEPRESSANTS PFIZER INC 2001-03-06 US disclosed